(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide

C14H21N3O2 — CID 94150043

IUPAC(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@H](C(=O)N[C@H](C)c1ccccc1)N(C)CC(N)=O
InChIInChI=1S/C14H21N3O2/c1-10(12-7-5-4-6-8-12)16-14(19)11(2)17(3)9-13(15)18/h4-8,10-11H,9H2,1-3H3,(H2,15,18)(H,16,19)/t10-,11-/m1/s1
InChIKeyYLPUYWGXKFRJAB-GHMZBOCLSA-N
MW263.34 g/mol
LogP0.67
Rot. Bonds6

About (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide

(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 94150043) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide
PubChem CID94150043
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@H](C(=O)N[C@H](C)c1ccccc1)N(C)CC(N)=O
InChIInChI=1S/C14H21N3O2/c1-10(12-7-5-4-6-8-12)16-14(19)11(2)17(3)9-13(15)18/h4-8,10-11H,9H2,1-3H3,(H2,15,18)(H,16,19)/t10-,11-/m1/s1
InChIKeyYLPUYWGXKFRJAB-GHMZBOCLSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717
(2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[(1R)-1-phenylethyl]propanamide
CID 98775522
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 109398067
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 42913829
(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide
CID 98700243
(2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 32727461
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-(dimethylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 47839311
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119911512
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide (CID 94150043) is (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide is C[C@H](C(=O)N[C@H](C)c1ccccc1)N(C)CC(N)=O.
What is the InChIKey of (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is YLPUYWGXKFRJAB-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(12-7-5-4-6-8-12)16-14(19)11(2)17(3)9-13(15)18/h4-8,10-11H,9H2,1-3H3,(H2,15,18)(H,16,19)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide?
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 94150043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).